4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol

C11H16FNO2 — CID 142279533

IUPAC4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESC=CC1=C(C(=C)F)C(CNC)OCC1O
InChIInChI=1S/C11H16FNO2/c1-4-8-9(14)6-15-10(5-13-3)11(8)7(2)12/h4,9-10,13-14H,1-2,5-6H2,3H3
InChIKeyOCHIXUQUTYQRRT-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.93
Rot. Bonds4

About 4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol

4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 142279533) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID142279533
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESC=CC1=C(C(=C)F)C(CNC)OCC1O
InChIInChI=1S/C11H16FNO2/c1-4-8-9(14)6-15-10(5-13-3)11(8)7(2)12/h4,9-10,13-14H,1-2,5-6H2,3H3
InChIKeyOCHIXUQUTYQRRT-UHFFFAOYSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol (CID 142279533) is 4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol is C=CC1=C(C(=C)F)C(CNC)OCC1O.
What is the InChIKey of 4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is OCHIXUQUTYQRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-4-8-9(14)6-15-10(5-13-3)11(8)7(2)12/h4,9-10,13-14H,1-2,5-6H2,3H3.
What are the key properties of 4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol?
4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 213.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-(1-fluoroethenyl)-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 142279533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).